(+/-)-Methyl-(4-phenoxy-phenyl)-sulfoxid | 40669-12-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (+/-)-Methyl-(4-phenoxy-phenyl)-sulfoxid
• 英文别名: 1-Methylsulfinyl-4-phenoxybenzene
• CAS: 40669-12-3
• 化学式: C₁₃H₁₂O₂S
• 分子量: 232.303
• InChiKey: BEBMOLHZPBUVOA-UHFFFAOYSA-N

物化性质

• 沸点：
  383.3±25.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  45.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (+/-)-Methyl-(4-phenoxy-phenyl)-sulfoxid 在 sodium hydride 、 三氟乙酸酐 、 sodium iodide 、 lithium diisopropyl amide 作用下， 以 丙酮 为溶剂， 反应 2.0h， 生成 Ethyl 3,3,3-trifluoro-2-[(4-phenoxyphenyl)sulfanylmethyl]-2-[phenylmethoxycarbonyl(propyl)amino]propanoate
  参考文献：
  名称：

  Synthesis of α-trifluoromethyl-α-amino-β-sulfone hydroxamates: novel nanomolar inhibitors of matrix metalloproteinases

  摘要：

  The racemic alpha-trifluoromethyl-alpha-amino-beta-sulfone hydroxamates 1 were synthesized by means of a nucleophilic addition of sulfur-stabilized carbanions to a N-Cbz imine of trifluoropyruvate (4). The free amino derivative 1a was the most potent inhibitor of both MMP-3 (stromelysin-1) and MMP-9 (gelatinase-B), showing an IC50 = 14 nM and 1 nM, respectively, and excellent selectivity versus MMP- 1 (>5000-fold difference in inhibitory capacity). The N-Me derivative 1b was the most selective for MMP-3 with respect to MMP-9 (62-fold difference). (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.07.078
• 作为产物：
  描述：

  4-苯氧基硫代苯酚 在 sodium hydroxide 、 过氧化氢苯甲酰 作用下， 以 氯仿 为溶剂， 反应 3.0h， 生成 (+/-)-Methyl-(4-phenoxy-phenyl)-sulfoxid
  参考文献：
  名称：

  Ghersetti,S.; Pallotti,M., Gazzetta Chimica Italiana, 1963, vol. 93, p. 1000 - 1013

  摘要：

  DOI：

文献信息

• A nickel-catalyzed silylation reaction of alkyl aryl sulfoxides with silylzinc reagents
  作者：Wei-Ze Li、Zhong-Xia Wang

  DOI：10.1039/d1ob00840d

  日期：——

  Ni(PEt3)Cl2-catalyzed silylation of alkyl aryl sulfoxides with silylzinc reagents was carried out. This protocol allows alkyl aryl sulfoxides to convert to arylsilicon compounds under mild reaction conditions, tolerates a range of functional groups and is suitable for a wide scope of substrates.

  用甲硅烷基锌试剂进行Ni（PEt 3）Cl 2催化的烷基芳基亚砜的甲硅烷基化。该方案允许烷基芳基亚砜在温和的反应条件下转化为芳基硅化合物，可耐受一定范围的官能团，并且适用于多种底物。
• METHOD FOR PREPARING COMPOUND AND METHOD FOR PREPARING POLYMER EMPLOYING THE SAME
  申请人：INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE

  公开号：US20190040202A1

  公开（公告）日：2019-02-07

  A method for preparing a compound and a method for preparing a polymer employing the same are provided. The method for preparing a compound includes reacting a compound having a structure represented by Formula (I) with a compound having a structure represented by Formula (III) in the presence of a compound having a structure represented by Formula (II) to obtain a compound having a structure represented by Formula (IV) wherein Ar 1 is substituted or unsubstituted aryl group; X is —O—, —S—, or —NH—; R 1 is independently hydrogen or C 1-6 alkyl group; R 2 is hydroxyl group, C 1-6 alkyl group, phenyl group, or tolyl group; and R 3 is independently C 1-6 alkyl group, C 5-8 cycloalkyl group, or C 2-6 alkoxyalkyl group.

  提供了一种制备化合物和一种采用该化合物制备聚合物的方法。制备化合物的方法包括在具有式(I)表示的结构的化合物与具有式(III)表示的结构的化合物在具有式(II)表示的结构的化合物存在下反应，以获得具有式(IV)表示的结构的化合物，其中Ar1是取代或未取代的芳基团；X是—O—，—S—或—NH—；R1独立地是氢或C1-6烷基基团；R2是羟基，C1-6烷基基团，苯基或甲苯基；R3独立地是C1-6烷基基团，C5-8环烷基基团或C2-6烷氧基烷基基团。
• Method for preparing compound and method for preparing polymer employing the same
  申请人：INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE

  公开号：US10723841B2

  公开（公告）日：2020-07-28

  A method for preparing a compound and a method for preparing a polymer employing the same are provided. The method for preparing a compound includes reacting a compound having a structure represented by Formula (I) with a compound having a structure represented by Formula (III) in the presence of a compound having a structure represented by Formula (II) to obtain a compound having a structure represented by Formula (IV) wherein Ar1 is substituted or unsubstituted aryl group; X is —O—, —S—, or —NH—; R1 is independently hydrogen or C1-6 alkyl group; R2 is hydroxyl group, C1-6 alkyl group, phenyl group, or tolyl group; and R3 is independently C1-6 alkyl group, C5-8 cycloalkyl group, or C2-6 alkoxyalkyl group.

  本发明提供了一种制备化合物的方法和一种利用其制备聚合物的方法。制备化合物的方法包括在具有式（II）所代表结构的化合物存在的情况下，使具有式（I）所代表结构的化合物与具有式（III）所代表结构的化合物反应，得到具有式（IV）所代表结构的化合物 其中 Ar1 是取代或未取代的芳基；X 是-O-、-S- 或-NH-；R1 独立地是氢基或 C1-6 烷基；R2 是羟基、C1-6 烷基、苯基或甲苯基；R3 独立地是 C1-6 烷基、C5-8 环烷基或 C2-6 烷氧基烷基。